CID 25216346

1100748-67-1

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(CCCCN2CC3=CC=CC=C3)CC1
InChI
InChI=1S/C21H32N2O2/c1-20(2,3)25-19(24)22-15-12-21(13-16-22)11-7-8-14-23(21)17-18-9-5-4-6-10-18/h4-6,9-10H,7-8,11-17H2,1-3H3
InChIKey
JVOCUYAQMDVMEQ-UHFFFAOYSA-N
Compound name
tert-butyl 1-benzyl-1,9-diazaspiro[5.5]undecane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.24637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.25365 188.8
[M+Na]+ 367.23559 190.5
[M-H]- 343.23909 192.5
[M+NH4]+ 362.28019 200.8
[M+K]+ 383.20953 186.9
[M+H-H2O]+ 327.24363 178.5
[M+HCOO]- 389.24457 198.7
[M+CH3COO]- 403.26022 209.8
[M+Na-2H]- 365.22104 190.1
[M]+ 344.24582 182.2
[M]- 344.24692 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.